CAS 17247-58-4

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Also known as: 17247-58-4, Cyclobutylmethyl bromide, Bromomethylcyclobutane, Cyclobutane, (bromomethyl)-, Bromomethyl cyclobutane, Mfcd00040960

Molecular Formula

C₅H₉Br

Molecular Weight

149.03 g/mol

InChI Key

FLHFTXCMKFVKRP-UHFFFAOYSA-N

1 2D Structure

CAS 17247-58-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

bromomethylcyclobutane

2.1.2 InChI

InChI=1S/C5H9Br/c6-4-5-2-1-3-5/h5H,1-4H2

2.1.3 InChI Key

FLHFTXCMKFVKRP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(C1)CBr

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 17247-58-4

2. Cyclobutylmethyl Bromide

3. Bromomethylcyclobutane

4. Cyclobutane, (bromomethyl)-

5. Bromomethyl Cyclobutane

6. Mfcd00040960

7. Cyclobutylmethylbromide

8. Bromomethyl-cyclobutane

9. Cydobutyl-methylbromide

10. (bromomethyl)cyclobutan

11. Cyclobutyl Methyl Bromide

12. (bromomethyl) Cyclobutane

13. (bromomethyl)-cyclobutane

14. (cyclobutyl)methyl Bromide

15. 1-(bromomethyl)cyclobutane

16. Ec 700-027-4

17. Schembl67906

18. (bromomethyl)cyclobutane, 97%

19. Dtxsid10370428

20. Act03403

21. Bcp18414

22. Zinc2390042

23. Bbl102967

24. Stl556776

25. Akos009158288

26. Pb47647

27. Ac-19697

28. As-36688

29. Db-015880

30. Am20070598

31. Cs-0015296

32. Ft-0623249

33. En300-91516

34. 2-fluoro-1-methylpyridinium P-toluenesulphonate?

35. 247b584

36. Q-200020

37. F0001-0626

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₅H₉Br
Molecular Weight	149.03 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	147.98876 g/mol
Monoisotopic Mass	147.98876 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	39.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1